CID 5273909

2,2-dihydroxy-1-(4-phenethylphenyl)ethanone

Structural Information

Molecular Formula
C16H16O3
SMILES
C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)C(O)O
InChI
InChI=1S/C16H16O3/c17-15(16(18)19)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11,16,18-19H,6-7H2
InChIKey
VXZPTMKGRFWDGX-UHFFFAOYSA-N
Compound name
2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.10995 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.117226 158.7
[M+Na]+ 279.099168 164.0
[M-H]- 255.102674 162.4
[M+NH4]+ 274.143773 173.6
[M+K]+ 295.073108 160.0
[M+H-H2O]+ 239.107210 151.5
[M+HCOO]- 301.108151 178.2
[M+CH3COO]- 315.123801 191.2
[M+Na-2H]- 277.084616 161.5
[M]+ 256.10940142 157.4
[M]- 256.11049858 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.